5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid

C18H12F2N4O3 — CID 139521978

IUPAC5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)cn1
InChIInChI=1S/C18H12F2N4O3/c19-12-3-1-10(6-13(12)20)5-11-2-4-16(23-7-11)24-17(25)14-8-22-15(9-21-14)18(26)27/h1-4,6-9H,5H2,(H,26,27)(H,23,24,25)
InChIKeyHEVWEAMKIDMVOG-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.69
Rot. Bonds5

About 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid

5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 139521978) has the molecular formula C18H12F2N4O3 and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID139521978
Molecular FormulaC18H12F2N4O3
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC Name5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)cn1
InChIInChI=1S/C18H12F2N4O3/c19-12-3-1-10(6-13(12)20)5-11-2-4-16(23-7-11)24-17(25)14-8-22-15(9-21-14)18(26)27/h1-4,6-9H,5H2,(H,26,27)(H,23,24,25)
InChIKeyHEVWEAMKIDMVOG-UHFFFAOYSA-N
XLogP2.69
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid (CID 139521978) is 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)cn1.
What is the InChIKey of 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is HEVWEAMKIDMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O3/c19-12-3-1-10(6-13(12)20)5-11-2-4-16(23-7-11)24-17(25)14-8-22-15(9-21-14)18(26)27/h1-4,6-9H,5H2,(H,26,27)(H,23,24,25).
What are the key properties of 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 370.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 139521978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).